CID 69098325

1699584-90-1

Structural Information

Molecular Formula
C8H8N2O
SMILES
CC1=C2C(=CC=C1)C(=NO2)N
InChI
InChI=1S/C8H8N2O/c1-5-3-2-4-6-7(5)11-10-8(6)9/h2-4H,1H3,(H2,9,10)
InChIKey
HSNPIDUOHGWFIO-UHFFFAOYSA-N
Compound name
7-methyl-1,2-benzoxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

148.06366 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 125.9
[M+Na]+ 171.052878 137.4
[M-H]- 147.056384 130.6
[M+NH4]+ 166.097483 147.6
[M+K]+ 187.026818 135.7
[M+H-H2O]+ 131.060920 120.1
[M+HCOO]- 193.061861 151.4
[M+CH3COO]- 207.077511 141.5
[M+Na-2H]- 169.038326 135.1
[M]+ 148.06311142 128.1
[M]- 148.06420858 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe